Table 3.

Binding energy, hydrogen bond, hydrophobic interaction, and binding distance of docked pose of Bcl-2, with kcal/mol used as unit of binding affinity.

Compound	Docking score (kcal/mol) in AutoDock	Docking score in MOE	H-bond interactions	Hydrophobic interactions
			Amino acids distance (Å)	Amino acids distance (Å)
D1	−7.9	−11.29	Arg86 (2.3 Å), Trp135 (1.9 Å), Glu138 (2.2 Å)	Phe89 (5.1 Å), Ala90 (5.1 Å)
D2	−8.1	−11.26	Ala90 (2.9 Å), Glu138 (2.4 Å), Trp135 (2.5)	Phe89 (5.1 Å), Ala90 (5.1 Å)
D3	−7.7	−10.75	Asn102 (2.40), Gly104 (2.59), Tyr161 (2.05), Leu160 (2.40)	Phe63 (3.23), Tyr67 (5.15), Ala108 (5.02), Ala59 (4.47), Val107 (5.13), Arg105 (4.23), Ala108 (3.41)